emmet.core.connectors.analysis

Tools for processing database CIFs.

Functions

parse_cif

Parse a CIF string and apply sanity checks.

parse_cif_cod_tools

Parse a CIF with the COD tools parser.

remove_artificial_disorder

Remove artificial disorder from a structure.

remove_structures_with_fictive_elements

Remove structures with fictive elements.

remove_structures_with_unphysical_symmetry

Remove structures whose symmetry cannot be determined.